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Compound Detail

CHEMBL136686

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CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136686
Phase Preclinical
Structure Type MOL
InChI Key NGSWUPZJKYFTDE-FADSCHIBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.6
MW (Da)
4.42
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H39NO2
MW 373.58
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.60

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14643329 10.1016/j.bmcl.2003.09.034 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine